UCSF

ZINC36799208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.93 9.84 -15.98 1 5 0 56 351.45 7
Lo Low (pH 4.5-6) 3.93 10.52 -33.7 2 5 1 57 352.458 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )